SCHEMBL9840597

SCHEMBL9840597

N#Cc1[nH]c(C(F)(F)F)c(C#N)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
IDO1 P14902 1/20 0.42
ADORA1 P30542 4/20 0.39
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
ADORA2A P29274 2/20 0.35
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
LMNA P02545 2/20 0.35
GYS1 P13807 1/20 0.35
ERBB2 P04626 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MET P08581 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9339832 0.79 PDE9A (0.48) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL27425531 0.71 GAA (0.45) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL28035241 0.70 CHUK (0.42) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9337593 0.68 PIM1 (0.35) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9840681 0.67 KDM4E (0.38) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9840879 0.66 ABCC8 (0.33) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9840686 0.66 MAPT (0.35) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9015062 0.66 KDM4E (0.48) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL15996359 0.64 POLB (0.50) KDM4EGAAKMT2AALDH1A1MAPT
SCHEMBL9224576 0.64 ALDH1A1 (0.49) KDM4EGAAKMT2AALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed